3-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]-N-(4,4-dimethylpentyl)propanamide

C22H46N2O5 — CID 166976016

IUPAC3-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]-N-(4,4-dimethylpentyl)propanamide
SMILESCC(C)(C)CCCNC(=O)CCOCCOCCOCCOCCNC(C)(C)C
InChIInChI=1S/C22H46N2O5/c1-21(2,3)9-7-10-23-20(25)8-12-26-14-16-28-18-19-29-17-15-27-13-11-24-22(4,5)6/h24H,7-19H2,1-6H3,(H,23,25)
InChIKeyDOIYRATUOLIPFY-UHFFFAOYSA-N
MW418.62 g/mol
LogP2.77
Rot. Bonds18

About 3-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]-N-(4,4-dimethylpentyl)propanamide

3-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]-N-(4,4-dimethylpentyl)propanamide (PubChem CID 166976016) has the molecular formula C22H46N2O5 and a molecular weight of 418.62 g/mol. Its IUPAC name is 3-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]-N-(4,4-dimethylpentyl)propanamide.

Molecular Properties

Compound Name3-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]-N-(4,4-dimethylpentyl)propanamide
PubChem CID166976016
Molecular FormulaC22H46N2O5
Molecular Weight418.62 g/mol
Exact Mass418.34
IUPAC Name3-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]-N-(4,4-dimethylpentyl)propanamide
SMILESCC(C)(C)CCCNC(=O)CCOCCOCCOCCOCCNC(C)(C)C
InChIInChI=1S/C22H46N2O5/c1-21(2,3)9-7-10-23-20(25)8-12-26-14-16-28-18-19-29-17-15-27-13-11-24-22(4,5)6/h24H,7-19H2,1-6H3,(H,23,25)
InChIKeyDOIYRATUOLIPFY-UHFFFAOYSA-N
XLogP2.77
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.62
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-[2-[2-[3-(tert-butylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-6,6-dimethylheptanamide
CID 90290747
N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-7,7-dimethyloctanamide
CID 176614152
N-[2-[2-[4-[2-(4,4-dimethylpentoxy)ethoxy]butoxy]ethoxy]ethyl]-2-methylpropan-2-amine
CID 169300394
4-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 177194352
N'-[3-[2-[2-[3-(tert-butylamino)propoxy]ethoxy]ethoxy]propyl]-N-(3-ethoxypropyl)pentanediamide
CID 88902416
N-[2-(2-methoxyethoxy)ethyl]-4,4-dimethylpentanamide
CID 139430629
N-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]-4,4-dimethylpentanamide
CID 168855315
1-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]-4,4-dimethylpentan-3-one
CID 59078266
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-4,4-dimethylpentanamide
CID 131982939
N-[2-[2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]-3-propan-2-ylsulfonylpropanamide
CID 167584800
N-(5,5-dimethylhexyl)-4,4-dimethylpentanamide
CID 59197749
N-(5,5-dimethylhexyl)-6,6-dimethylheptanamide
CID 155613162

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]-N-(4,4-dimethylpentyl)propanamide?
The IUPAC name of 3-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]-N-(4,4-dimethylpentyl)propanamide (CID 166976016) is 3-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]-N-(4,4-dimethylpentyl)propanamide.
What is the SMILES notation for 3-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]-N-(4,4-dimethylpentyl)propanamide?
The canonical SMILES for 3-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]-N-(4,4-dimethylpentyl)propanamide is CC(C)(C)CCCNC(=O)CCOCCOCCOCCOCCNC(C)(C)C.
What is the InChIKey of 3-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]-N-(4,4-dimethylpentyl)propanamide?
The InChIKey is DOIYRATUOLIPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46N2O5/c1-21(2,3)9-7-10-23-20(25)8-12-26-14-16-28-18-19-29-17-15-27-13-11-24-22(4,5)6/h24H,7-19H2,1-6H3,(H,23,25).
What are the key properties of 3-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]-N-(4,4-dimethylpentyl)propanamide?
3-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]-N-(4,4-dimethylpentyl)propanamide has a molecular weight of 418.62 g/mol, XLogP of 2.77, 18 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]-N-(4,4-dimethylpentyl)propanamide is sourced from PubChem (CID 166976016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).